Calcium in PDB 1zcm: Human Calpain Protease Core Inhibited By ZLLYCH2F

All present enzymatic activity of Human Calpain Protease Core Inhibited By ZLLYCH2F:
3.4.22.52;

The structure of Human Calpain Protease Core Inhibited By ZLLYCH2F, PDB code: 1zcm was solved by Q.Li, R.P.Hanzlik, R.F.Weaver, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.440, 62.740, 99.260, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.3

The binding sites of Calcium atom in the Human Calpain Protease Core Inhibited By ZLLYCH2F (pdb code 1zcm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Calpain Protease Core Inhibited By ZLLYCH2F, PDB code: 1zcm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Calpain Protease Core Inhibited By ZLLYCH2F


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Calpain Protease Core Inhibited By ZLLYCH2F within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:17.8 occ:1.00 O A:GLU333 2.2 13.3 1.0 O A:MET329 2.3 18.3 1.0 OD1 A:ASP309 2.3 17.2 1.0 O A:HOH1184 2.4 16.5 1.0 OE2 A:GLU302 2.4 15.2 1.0 OD1 A:ASP331 2.4 17.9 1.0 OE1 A:GLU302 2.5 15.1 1.0 CD A:GLU302 2.7 15.4 1.0 CG A:ASP309 3.1 17.4 1.0 OD2 A:ASP309 3.2 18.1 1.0 C A:GLU333 3.4 13.6 1.0 CG A:ASP331 3.5 18.8 1.0 C A:MET329 3.5 20.6 1.0 N A:GLU333 3.9 13.5 1.0 OD2 A:ASP331 3.9 19.2 1.0 N A:ASP331 4.0 20.5 1.0 O A:VAL327 4.1 21.8 1.0 CA A:GLU333 4.2 14.4 1.0 CG A:GLU302 4.2 15.3 1.0 N A:MET329 4.2 21.9 1.0 CA A:MET329 4.4 23.2 1.0 O A:HOH1141 4.4 23.8 1.0 N A:PHE334 4.4 14.7 1.0 N A:GLY332 4.5 13.7 1.0 N A:GLU330 4.5 19.1 1.0 O A:HOH1188 4.5 21.5 1.0 O A:HOH1122 4.5 15.7 1.0 CB A:ASP309 4.5 17.1 1.0 CA A:GLU330 4.6 21.4 1.0 CB A:GLU333 4.6 12.5 1.0 CA A:PHE334 4.6 15.4 1.0 CB A:ASP331 4.7 20.2 1.0 CA A:ASP331 4.7 17.8 1.0 CB A:PHE334 4.8 11.4 1.0 C A:GLU330 4.8 20.2 1.0 C A:GLY332 4.8 13.2 1.0 CB A:MET329 4.8 25.7 1.0 C A:ASP331 4.9 16.8 1.0 O A:HOH1189 4.9 18.5 1.0

Calcium binding site 2 out of 2 in the Human Calpain Protease Core Inhibited By ZLLYCH2F


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Calpain Protease Core Inhibited By ZLLYCH2F within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:17.0 occ:1.00 OE2 A:GLU185 2.3 15.2 1.0 OD2 A:ASP106 2.4 18.1 1.0 O A:VAL99 2.4 24.0 1.0 O A:GLY101 2.4 15.7 1.0 OE1 A:GLU185 2.5 19.0 1.0 O A:HOH1197 2.5 25.5 1.0 O A:HOH1185 2.6 18.4 1.0 OD1 A:ASP106 2.6 15.3 1.0 CD A:GLU185 2.7 14.0 1.0 CG A:ASP106 2.7 15.4 1.0 C A:VAL99 3.5 19.3 1.0 C A:GLY101 3.6 16.9 1.0 N A:VAL99 4.0 19.6 1.0 O A:ASP100 4.1 17.3 1.0 O A:HOH1245 4.1 35.8 1.0 CB A:ASP106 4.1 14.2 1.0 C A:ASP100 4.2 20.7 1.0 CG A:GLU185 4.2 16.3 1.0 CA A:VAL99 4.2 20.7 1.0 OG1 A:THR103 4.3 13.7 1.0 N A:THR103 4.3 16.5 1.0 NE1 A:TRP187 4.3 15.3 1.0 N A:GLY101 4.4 19.6 1.0 CB A:VAL99 4.4 22.4 1.0 O A:HOH1200 4.5 29.4 1.0 CA A:ALA102 4.5 14.5 1.0 N A:ALA102 4.5 15.5 1.0 N A:ASP100 4.6 20.8 1.0 CA A:GLY101 4.6 19.5 1.0 OG A:SER180 4.7 21.9 1.0 CA A:ASP100 4.8 21.4 1.0 CB A:ASP100 4.8 20.3 1.0 O A:HOH1303 4.9 36.0 1.0 CD1 A:TRP187 4.9 15.6 1.0 CB A:GLU185 5.0 15.6 1.0 C A:ALA102 5.0 15.7 1.0

Q.Li, R.P.Hanzlik, R.F.Weaver, E.Schonbrunn. Molecular Mode of Action of A Covalently Inhibiting Peptidomimetic on the Human Calpain Protease Core Biochemistry V. 45 701 2006.
ISSN: ISSN 0006-2960
PubMed: 16411745
DOI: 10.1021/BI052077B